Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:49:01 UTC
Update Date2025-03-25 00:49:44 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02176245
Frequency0.5
Structure
Chemical FormulaC10H9NO3
Molecular Mass191.0582
SMILESCc1cc(C)c2c(=O)oc(=O)[nH]c2c1
InChI KeyKDTNQNHSMNVXOX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzoxazines
Subclass benzoxazines
Direct Parent benzoxazines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • benzenoids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • lactones
  • organic carbonic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organooxygen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • vinylogous amides
  • Substituents
  • vinylogous amide
  • carbonic acid derivative
  • azacycle
  • heteroaromatic compound
  • benzoxazine
  • lactone
  • oxacycle
  • organic oxide
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound